SCHEMBL6572277

SCHEMBL6572277

COCCNc1ccc(N)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
HTT P42858 2/20 0.38
PTGER4 P35408 2/20 0.37
ATM Q13315 1/20 0.37
SLC40A1 Q9NP59 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNH3 Q9ULD8 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6570857 0.89 PTGER4 (0.39) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6571575 0.87 ALDH1A1 (0.41) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6572982 0.86 PTGER4 (0.40) KDM4EALDH1A1HPGDHTTPTGER4
SCHEMBL6572041 0.86 GAA (0.47) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6571144 0.86 ADRB2 (0.44) KDM4EALDH1A1HPGDHTTPTGER4
SCHEMBL6572149 0.84 KIF11 (0.40) KDM4EALDH1A1PTGER4HSD17B10
SCHEMBL6571410 0.84 ALDH1A1 (0.46) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6573249 0.83 PTGER4 (0.39) KDM4EALDH1A1PTGER4SLC40A1MAPT
SCHEMBL6572071 0.82 NPC1 (0.39) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6572594 0.82 PTGER4 (0.57) KDM4EALDH1A1HPGDHTTPTGER4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP claimed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed